==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 13-DEC-99 1DM2 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.THUNNISSEN,S.-H.KIM . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 0 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M > 0 0 39 0, 0.0 3,-1.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -40.9 40.3 31.8 39.4 2 2 A E T 3 + 0 0 152 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.483 360.0 79.9 -63.3 1.2 40.1 31.0 43.1 3 3 A N T 3 S+ 0 0 68 21,-0.1 21,-2.0 20,-0.0 22,-0.6 0.172 81.4 79.3 -95.4 17.7 37.2 33.5 42.9 4 4 A F E < -A 23 0A 27 -3,-1.4 2,-0.6 19,-0.3 19,-0.2 -0.969 56.8-156.9-133.7 146.3 34.7 31.1 41.4 5 5 A Q E -A 22 0A 108 17,-1.4 17,-1.9 -2,-0.4 2,-0.3 -0.962 24.9-133.5-117.8 112.8 32.4 28.3 42.6 6 6 A K E -A 21 0A 95 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.510 24.1-178.3 -65.3 126.6 31.4 25.8 40.0 7 7 A V E - 0 0 61 13,-4.7 2,-0.3 1,-0.4 14,-0.2 0.830 57.6 -40.2 -95.0 -41.7 27.6 25.3 40.4 8 8 A E E -A 20 0A 104 12,-1.1 12,-2.8 0, 0.0 2,-0.8 -0.918 62.2 -86.0 180.0 157.0 27.0 22.7 37.7 9 9 A K E -A 19 0A 104 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.675 36.1-178.2 -78.8 110.6 28.0 21.7 34.1 10 10 A I E - 0 0 64 8,-1.2 2,-0.2 -2,-0.8 9,-0.2 -0.020 58.8 -56.9 -99.9 29.7 25.7 23.6 31.8 11 11 A G E - 0 0 31 7,-0.3 7,-2.1 2,-0.0 2,-0.4 -0.678 52.5 -84.8 128.3 177.2 27.1 22.0 28.7 12 12 A E E -A 17 0A 145 5,-0.2 5,-0.3 -2,-0.2 21,-0.1 -0.914 36.4-151.8-131.5 104.0 30.2 21.4 26.6 13 13 A G - 0 0 17 3,-1.2 3,-0.5 -2,-0.4 -2,-0.0 -0.115 32.9-102.4 -64.6 170.6 31.2 24.1 24.2 14 14 A T S S+ 0 0 71 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.912 121.1 35.1 -64.6 -40.7 33.1 23.2 21.0 15 15 A Y S S- 0 0 133 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.378 132.4 -26.4 -95.7 4.2 36.4 24.3 22.4 16 16 A G S S- 0 0 20 -3,-0.5 -3,-1.2 2,-0.0 2,-0.2 -0.955 78.9 -59.6 167.5 176.4 35.9 23.3 26.0 17 17 A V E -AB 12 34A 32 17,-0.8 17,-3.0 -2,-0.3 2,-0.4 -0.591 40.6-146.1 -87.5 144.7 33.5 22.6 28.8 18 18 A V E - B 0 33A 27 -7,-2.1 -8,-1.2 15,-0.2 -7,-0.3 -0.937 16.7-177.0-115.0 129.9 31.1 25.3 30.2 19 19 A Y E -AB 9 32A 63 13,-2.8 13,-3.3 -2,-0.4 2,-0.5 -0.857 28.8-121.8-123.2 156.1 30.0 25.6 33.9 20 20 A K E -AB 8 31A 42 -12,-2.8 -13,-4.7 -2,-0.3 -12,-1.1 -0.851 42.9-177.7 -94.2 129.7 27.6 27.8 35.8 21 21 A A E -AB 6 30A 0 9,-2.4 9,-2.4 -2,-0.5 2,-0.6 -0.912 29.1-135.3-132.4 159.3 29.6 29.6 38.6 22 22 A R E -AB 5 29A 118 -17,-1.9 -17,-1.4 -2,-0.3 2,-0.7 -0.962 30.8-122.2-113.1 118.2 29.1 31.9 41.4 23 23 A N E > -A 4 0A 21 5,-3.4 4,-2.1 -2,-0.6 -19,-0.3 -0.479 22.8-144.7 -60.3 107.5 31.7 34.7 41.7 24 24 A K T 4 S+ 0 0 108 -21,-2.0 -1,-0.2 -2,-0.7 -20,-0.1 0.798 91.8 33.8 -45.6 -36.2 32.9 33.9 45.2 25 25 A L T 4 S+ 0 0 142 -22,-0.6 -1,-0.1 1,-0.1 -2,-0.1 0.935 127.1 29.3 -83.9 -82.6 33.4 37.6 45.8 26 26 A T T 4 S- 0 0 77 1,-0.1 -2,-0.2 2,-0.0 3,-0.1 0.451 94.3-134.5 -60.4 -2.7 30.8 39.7 44.0 27 27 A G < + 0 0 28 -4,-2.1 -1,-0.1 1,-0.2 -3,-0.1 0.447 52.7 148.9 61.9 -1.1 28.3 36.9 44.2 28 28 A E - 0 0 90 -6,-0.1 -5,-3.4 -5,-0.1 2,-0.5 -0.317 47.4-124.8 -67.1 147.9 27.3 37.3 40.6 29 29 A V E +B 22 0A 60 -7,-0.2 45,-0.7 -3,-0.1 2,-0.2 -0.830 42.3 158.6 -96.2 125.5 26.2 34.3 38.6 30 30 A V E -BC 21 73A 2 -9,-2.4 -9,-2.4 -2,-0.5 2,-0.5 -0.751 40.8-108.1-135.6-177.6 28.2 33.7 35.4 31 31 A A E -BC 20 72A 9 41,-2.5 41,-3.5 -11,-0.2 2,-0.4 -0.982 29.8-159.2-119.8 125.4 29.1 31.0 32.8 32 32 A L E -BC 19 71A 4 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.6 -0.891 3.3-160.4-109.4 133.5 32.7 29.8 32.8 33 33 A K E -BC 18 70A 14 37,-2.5 37,-2.2 -2,-0.4 2,-0.9 -0.950 9.3-149.7-116.2 117.5 34.3 28.1 29.8 34 34 A K E BC 17 69A 54 -17,-3.0 -17,-0.8 -2,-0.6 35,-0.2 -0.757 360.0 360.0 -85.1 104.5 37.4 26.0 30.5 35 35 A I 0 0 75 33,-4.2 -1,-0.2 -2,-0.9 34,-0.2 0.859 360.0 360.0 -89.6 360.0 39.5 26.3 27.3 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 45 A P 0 0 144 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 48.6 30.0 21.5 38 46 A S > + 0 0 73 2,-0.2 4,-1.1 1,-0.1 5,-0.1 0.681 360.0 61.9 -89.4 -23.5 49.5 33.7 21.9 39 47 A T H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.873 103.7 48.0 -70.4 -39.7 47.7 34.7 18.7 40 48 A A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.632 104.3 62.5 -76.5 -14.5 44.4 33.5 20.0 41 49 A I H 4 S+ 0 0 54 2,-0.2 4,-0.4 -4,-0.2 -1,-0.2 0.820 111.8 36.1 -78.2 -33.6 45.0 35.4 23.2 42 50 A R H >X S+ 0 0 152 -4,-1.1 3,-2.1 -3,-0.2 4,-1.2 0.944 115.4 60.2 -76.1 -53.8 45.0 38.6 21.3 43 51 A E H >< S+ 0 0 81 -4,-2.8 3,-0.6 1,-0.3 4,-0.4 0.809 109.3 38.9 -35.4 -55.1 42.3 37.1 19.1 44 52 A I T 3X S+ 0 0 8 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.580 107.6 63.8 -80.6 -10.4 39.8 36.7 22.0 45 53 A S T <4 S+ 0 0 39 -3,-2.1 4,-0.4 -4,-0.4 -1,-0.2 0.646 96.2 59.1 -84.6 -15.8 40.8 40.0 23.6 46 54 A L T << S+ 0 0 101 -4,-1.2 3,-0.4 -3,-0.6 4,-0.3 0.727 100.4 58.6 -79.6 -23.7 39.5 41.6 20.4 47 55 A L T >4 S+ 0 0 40 -4,-0.4 3,-1.4 -5,-0.3 11,-0.2 0.825 89.4 69.4 -73.4 -34.5 36.2 39.9 21.3 48 56 A K T 3< S+ 0 0 60 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 102.4 47.2 -53.4 -31.7 36.0 41.6 24.7 49 57 A E T 3 S+ 0 0 140 -4,-0.4 2,-1.9 -3,-0.4 -1,-0.3 0.631 88.2 93.6 -86.4 -14.5 35.4 44.8 22.8 50 58 A L < + 0 0 16 -3,-1.4 2,-0.4 -4,-0.3 8,-0.2 -0.537 57.3 160.6 -81.0 80.3 32.7 43.2 20.6 51 59 A N + 0 0 67 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.874 4.2 146.3-110.0 136.3 29.7 44.2 22.7 52 60 A H > - 0 0 47 3,-0.5 3,-2.1 -2,-0.4 54,-0.0 -0.977 57.6-108.1-159.2 150.3 26.1 44.2 21.4 53 61 A P T 3 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.784 120.7 47.8 -54.4 -26.0 22.7 43.5 22.9 54 62 A N T 3 S+ 0 0 9 48,-0.1 81,-2.3 80,-0.1 2,-0.4 0.066 96.5 80.8-106.1 23.6 22.6 40.3 20.8 55 63 A I B < S-e 135 0B 8 -3,-2.1 -3,-0.5 79,-0.3 81,-0.2 -1.000 89.4-110.8-128.8 126.3 26.0 39.0 21.6 56 64 A V - 0 0 10 79,-2.3 2,-0.2 -2,-0.4 -2,-0.1 -0.373 43.7-110.5 -56.0 125.3 26.6 37.1 24.8 57 65 A K - 0 0 86 -4,-0.1 16,-2.0 -2,-0.1 2,-1.1 -0.418 17.9-147.2 -66.8 127.6 28.8 39.4 26.9 58 66 A L E -D 72 0A 15 -11,-0.2 14,-0.2 -2,-0.2 3,-0.1 -0.815 20.4-177.7 -92.0 95.0 32.4 38.1 27.5 59 67 A L E - 0 0 47 -2,-1.1 2,-0.3 12,-1.0 -1,-0.2 0.940 56.8 -15.2 -63.4 -49.0 32.8 39.6 31.0 60 68 A D E -D 71 0A 94 11,-1.6 11,-2.6 -3,-0.2 2,-0.4 -0.970 48.3-138.3-154.3 167.5 36.4 38.5 31.4 61 69 A V E -D 70 0A 26 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -1.000 15.8-171.8-130.2 128.3 39.3 36.4 30.3 62 70 A I E -D 69 0A 40 7,-2.7 7,-1.5 -2,-0.4 2,-0.6 -0.858 3.2-167.8-126.0 95.7 41.6 34.6 32.8 63 71 A H E +D 68 0A 117 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.750 22.9 162.6 -84.7 119.8 44.6 33.0 31.3 64 72 A T E > -D 67 0A 40 3,-2.8 3,-3.2 -2,-0.6 -2,-0.1 -0.991 53.3 -28.3-147.7 134.5 46.2 30.7 34.0 65 73 A E T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.768 121.4 -45.9 25.9 65.7 48.7 27.8 34.1 66 74 A N T 3 S+ 0 0 167 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.453 121.9 105.1 66.8 2.2 48.0 26.4 30.6 67 75 A K E < - D 0 64A 94 -3,-3.2 -3,-2.8 -32,-0.1 2,-0.5 -0.958 57.2-156.4-115.8 127.5 44.3 26.7 31.2 68 76 A L E - D 0 63A 32 -2,-0.5 -33,-4.2 -5,-0.2 2,-0.5 -0.892 9.0-165.4-104.3 130.3 42.3 29.5 29.6 69 77 A Y E -CD 34 62A 21 -7,-1.5 -7,-2.7 -2,-0.5 2,-0.6 -0.967 6.6-162.2-121.0 126.9 39.0 30.5 31.2 70 78 A L E -CD 33 61A 18 -37,-2.2 -37,-2.5 -2,-0.5 2,-0.6 -0.926 8.6-155.0-108.4 122.7 36.3 32.6 29.6 71 79 A V E +CD 32 60A 5 -11,-2.6 -11,-1.6 -2,-0.6 -12,-1.0 -0.871 21.0 179.7 -98.7 121.9 33.8 34.2 31.9 72 80 A F E -CD 31 58A 39 -41,-3.5 -41,-2.5 -2,-0.6 -14,-0.2 -0.791 36.1 -94.6-121.1 163.6 30.5 35.0 30.3 73 81 A E E -C 30 0A 46 -16,-2.0 2,-0.5 -2,-0.3 -43,-0.2 -0.498 52.0-113.1 -71.2 145.7 27.1 36.5 31.2 74 82 A F + 0 0 36 -45,-0.7 2,-0.4 -2,-0.1 -1,-0.1 -0.756 34.9 177.5 -93.9 127.6 24.7 33.7 32.2 75 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 52,-0.0 -0.980 22.3-145.3-121.5 133.2 21.7 32.8 30.1 76 84 A H S S+ 0 0 102 -2,-0.4 2,-0.3 51,-0.2 -1,-0.1 0.965 73.7 36.7 -66.9 -53.5 19.6 29.9 31.3 77 85 A Q E -F 127 0B 10 50,-0.9 50,-2.8 199,-0.0 2,-0.3 -0.726 60.6-152.0-110.3 152.5 18.4 28.4 28.0 78 86 A D E > -F 126 0B 45 -2,-0.3 4,-1.5 48,-0.3 48,-0.3 -0.753 34.4-108.3-110.8 162.0 19.8 27.8 24.5 79 87 A L H > S+ 0 0 0 46,-2.8 4,-2.0 43,-0.9 44,-0.2 0.790 113.4 59.2 -62.5 -32.3 17.7 27.6 21.3 80 88 A K H > S+ 0 0 88 42,-1.0 4,-1.8 45,-0.3 -1,-0.2 0.945 108.3 45.7 -62.2 -45.7 18.1 23.9 20.8 81 89 A K H > S+ 0 0 116 1,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.837 112.9 50.9 -64.5 -35.7 16.6 23.1 24.1 82 90 A F H < S+ 0 0 14 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.809 107.3 53.3 -73.7 -30.6 13.7 25.6 23.5 83 91 A M H >< S+ 0 0 22 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.879 108.5 49.3 -72.8 -36.6 13.0 24.0 20.1 84 92 A D H >< S+ 0 0 114 -4,-1.8 3,-1.2 1,-0.2 4,-0.2 0.923 109.0 53.2 -65.4 -44.1 12.7 20.6 21.7 85 93 A A T 3< S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.547 117.5 37.0 -67.8 -10.2 10.3 22.0 24.3 86 94 A S T <> S+ 0 0 15 -3,-0.7 4,-4.1 -4,-0.4 -1,-0.3 0.214 82.9 111.0-123.7 10.1 8.1 23.5 21.6 87 95 A A T <4 S+ 0 0 42 -3,-1.2 -2,-0.1 1,-0.2 -3,-0.1 0.672 82.9 42.8 -59.9 -19.3 8.5 20.7 19.1 88 96 A L T 4 S+ 0 0 167 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.792 129.5 24.3 -97.6 -33.0 4.8 19.7 19.6 89 97 A T T 4 S- 0 0 107 -4,-0.1 -2,-0.2 -3,-0.1 -3,-0.1 0.779 103.9-133.0 -99.7 -36.6 3.3 23.1 19.6 90 98 A G < - 0 0 11 -4,-4.1 -3,-0.1 -7,-0.2 85,-0.1 0.233 27.9 -75.5 91.7 141.8 5.9 25.0 17.6 91 99 A I - 0 0 14 83,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.560 60.6-105.4 -69.9 128.5 7.5 28.4 18.3 92 100 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.6 -0.296 25.6-120.4 -57.2 138.8 4.9 31.0 17.5 93 101 A L H 3> S+ 0 0 67 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.869 112.4 58.3 -47.7 -46.9 5.7 32.8 14.2 94 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.4 0, 0.0 174,-0.4 0.828 110.0 45.6 -54.8 -31.2 5.9 36.2 15.9 95 103 A L H <> S+ 0 0 8 -3,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.859 109.9 52.2 -78.7 -39.5 8.6 34.8 18.2 96 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.950 111.5 49.2 -58.9 -46.7 10.5 33.1 15.3 97 105 A K H X S+ 0 0 11 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.861 110.0 49.3 -60.4 -42.4 10.5 36.5 13.5 98 106 A S H X S+ 0 0 4 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.919 112.2 48.6 -65.9 -43.4 11.8 38.4 16.6 99 107 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.930 112.1 47.4 -61.9 -48.8 14.6 35.9 17.1 100 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 112.6 50.8 -58.9 -43.9 15.7 36.0 13.4 101 109 A F H X S+ 0 0 45 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.908 111.9 46.1 -60.2 -46.4 15.6 39.8 13.5 102 110 A Q H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 113.0 49.3 -64.5 -44.7 17.7 40.0 16.6 103 111 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.885 109.9 51.2 -63.1 -40.1 20.2 37.5 15.3 104 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.853 110.2 50.6 -66.0 -33.7 20.5 39.3 12.0 105 113 A Q H X S+ 0 0 67 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.908 112.0 47.2 -68.1 -42.1 21.1 42.5 14.1 106 114 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.912 114.9 45.5 -65.3 -42.9 23.8 40.7 16.0 107 115 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.929 108.1 56.8 -66.8 -44.9 25.4 39.3 12.8 108 116 A A H X S+ 0 0 19 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.862 108.4 48.8 -53.8 -38.2 25.2 42.7 11.1 109 117 A F H X S+ 0 0 44 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.933 113.1 45.9 -67.5 -47.5 27.2 44.1 13.9 110 118 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-1.5 0.960 113.7 48.6 -58.2 -55.3 29.9 41.4 13.8 111 119 A H H ><5S+ 0 0 29 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.751 104.1 58.5 -59.0 -29.5 30.2 41.5 10.1 112 120 A S H 3<5S+ 0 0 87 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.682 107.4 50.6 -74.8 -15.6 30.6 45.3 10.0 113 121 A H T <<5S- 0 0 104 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.059 121.8-108.7-106.5 21.6 33.6 44.7 12.3 114 122 A R T < 5S+ 0 0 223 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.729 79.2 132.6 58.8 23.3 35.0 42.1 9.9 115 123 A V < - 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